CID 80507

Methyl methoxyacetate

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

COCC(=O)OC

InChI

InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3

InChIKey

QRMHDGWGLNLHMN-UHFFFAOYSA-N

Compound name

methyl 2-methoxyacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 6538
Patents: 104.04734 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	105.054616	117.0
[M+Na]+	127.036558	125.3
[M-H]-	103.040064	117.9
[M+NH4]+	122.081163	140.3
[M+K]+	143.010498	126.9
[M+H-H2O]+	87.044600	112.9
[M+HCOO]-	149.045541	141.5
[M+CH3COO]-	163.061191	166.3
[M+Na-2H]-	125.022006	124.1
[M]+	104.04679142	120.6
[M]-	104.04788858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe